(2S)-N-(2-cyclohexylethyl)-4-(1H-imidazol-5-yl)-2-[[(2S)-2-[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]ethanoylamino]-3-oxidanyl-propanoyl]amino]butanamide

Systemtic Name: (2S)-N-(2-cyclohexylethyl)-4-(1H-imidazol-5-yl)-2-[[(2S)-2-[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]ethanoylamino]-3-oxidanyl-propanoyl]amino]butanamide Openeye Name: (2S)-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanoyl]amino]-4-(1H-imidazol-5-yl)butanamide CAS Name: (2S)-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[[2-[4-[4-(2-methyl-1-imidazolyl)butyl]phenyl]-1-oxoethyl]amino]-1-oxopropyl]amino]-4-(1H-imidazol-5-yl)butanamide IUPAC Name: (2S)-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanoyl]amino]-4-(1H-imidazol-5-yl)butanamide Traditional Name: (2S)-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanoyl]amino]-4-(1H-imidazol-5-yl)butyramide Formula: C34H49N7O4 MolecularWeight: 619.79736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCCCC2=CC=C(C=C2)CC(=O)NC(CO)C(=O)NC(CCC3=CN=CN3)C(=O)NCCC4CCCCC4

Isomeric SMILES

CC1=NC=CN1CCCCC2=CC=C(C=C2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC3=CN=CN3)C(=O)NCCC4CCCCC4

InChI

InChI=1S/C34H49N7O4/c1-25-36-18-20-41(25)19-6-5-9-27-10-12-28(13-11-27)21-32(43)39-31(23-42)34(45)40-30(15-14-29-22-35-24-38-29)33(44)37-17-16-26-7-3-2-4-8-26/h10-13,18,20,22,24,26,30-31,42H,2-9,14-17,19,21,23H2,1H3,(H,35,38)(H,37,44)(H,39,43)(H,40,45)/t30-,31-/m0/s1